Crystallography Open Database

Information card for entry 8105097

Preview

Coordinates	8105097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 Cd N4 O4 P2 S4
Calculated formula	C20 H38 Cd N4 O4 P2 S4
Title of publication	Crystal structure of catena-poly[(μ2-pyrazine-N,N′)-bis(O,O′-di-isopropyldithiophosphato-S,S′)cadmium(II) acetonitrile di-solvate], [C16H32CdN2O4P2S4⋅2(C2H3N)]n
Authors of publication	Tan, Yee Seng; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	323 - 325
a	9.6352 ± 0.0002 Å
b	11.3986 ± 0.0002 Å
c	14.8017 ± 0.0003 Å
α	85.713 ± 0.002°
β	89.877 ± 0.002°
γ	86.048 ± 0.002°
Cell volume	1617.23 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274787 (current)	2022-05-02	cif/ Adding structures of 8105097 via cif-deposit CGI script.	8105097.cif